Dynamic Electronic Structure Fluctuations in the De Novo Peptide ACC-Dimer Revealed by First-Principles Theory and Machine Learning
基于第一性原理理论和机器学习揭示从头肽ACC二聚体的动态电子结构波动
期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.4c01979
Mastracco, Peter; Mohanam, Luke Nambi; Nagaro, Giacomo; Prusty, Sangram; Oh, Younghoon; Wu, Ruqian; Cui, Qiang; Hochbaum, Allon I; Copp, Stacy M; Sharifzadeh, Sahar